SCHEMBL379859

SCHEMBL379859

O=C(O)C1N=Cc2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.33
HSPA1A P0DMV8 1/20 0.32
PTPN7 P35236 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EGFR P00533 2/20 0.32
MAPK1 P28482 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PIN1 Q13526 2/20 0.31
CYP1A2 P05177 1/20 0.31
CASP1 P29466 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29427860 1.00 MAPT (0.39) MAPTGAAALDH1A1HSPA1APTPN7
SCHEMBL943810 0.84 EGFR (0.32) MAPTGAAEGFRMAPK1CYP1A2
SCHEMBL29138002 0.80 ALDH1A1 (0.35) MAPTALDH1A1EGFRNPC1RAB9A
SCHEMBL28671894 0.77 RECQL (0.36) MAPTGAAALDH1A1MAPK1NPC1
SCHEMBL7603455 0.75 EGFR (0.42) MAPTGAAALDH1A1EGFRMAPK1
SCHEMBL27988772 0.73 GAA (0.33) MAPTGAA
SCHEMBL17338036 0.70 L3MBTL1 (0.35) ALDH1A1MAPK1NPC1
SCHEMBL1420618 0.69 NOS2 (0.33) MAPTGAA
SCHEMBL16321015 0.69 GAA (0.30) MAPTGAA
SCHEMBL28144059 0.69 GAA (0.30) MAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322157-B Letermopevir intermediate compound, preparation method and application thereof 浙江车头制药股份有限公司 2023-12-05 CN disclosed
CN-115322157-A Letemovir intermediate compound and preparation method and application thereof 浙江车头制药股份有限公司 2022-11-11 CN disclosed
EP-1893587-B1 METHOD FOR PRODUCING DIHYDROQUINAZOLINES AICURIS GMBH & CO KG (DE) 2012-01-25 EP disclosed
EP-1893587-A1 METHOD FOR PRODUCING DIHYDROQUINAZOLINES Bayer HealthCare AG (DE) 2008-03-05 EP disclosed
WO-2006133822-A1 METHOD FOR PRODUCING DIHYDROQUINAZOLINES BAYER HEALTHCARE AG (DE) 2006-12-21 WO disclosed